sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks (R)-(-)-CITALOPRAM

(R)-(-)-CITALOPRAM

CAS No.:
128196-02-1
Catalog Number:
AG009AFI
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG009AFI
Chemical Name:
(R)-(-)-CITALOPRAM
CAS Number:
128196-02-1
MDL Number:
MFCD08063389
IUPAC Name:
(1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
InChI:
InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m1/s1
InChI Key:
WSEQXVZVJXJVFP-HXUWFJFHSA-N
UNII:
1TH2C9NJHL
Properties
Complexity:
466  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
324.164g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.399g/mol
Monoisotopic Mass:
324.164g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
In silico prediction of pregnane X receptor activators by machine learning approaches. Molecular pharmacology 20070101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties